5-(6-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid

C19H13F3N2O3 — CID 170701148

IUPAC5-(6-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid
SMILESCc1cccc(-c2cc(C(=O)O)cnc2Oc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C19H13F3N2O3/c1-11-3-2-4-16(24-11)15-9-12(18(25)26)10-23-17(15)27-14-7-5-13(6-8-14)19(20,21)22/h2-10H,1H3,(H,25,26)
InChIKeyCQCPPWUVZLVDNG-UHFFFAOYSA-N
MW374.32 g/mol
LogP4.96
Rot. Bonds4

About 5-(6-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid

5-(6-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid (PubChem CID 170701148) has the molecular formula C19H13F3N2O3 and a molecular weight of 374.32 g/mol. Its IUPAC name is 5-(6-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(6-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid
PubChem CID170701148
Molecular FormulaC19H13F3N2O3
Molecular Weight374.32 g/mol
Exact Mass374.09
IUPAC Name5-(6-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid
SMILESCc1cccc(-c2cc(C(=O)O)cnc2Oc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C19H13F3N2O3/c1-11-3-2-4-16(24-11)15-9-12(18(25)26)10-23-17(15)27-14-7-5-13(6-8-14)19(20,21)22/h2-10H,1H3,(H,25,26)
InChIKeyCQCPPWUVZLVDNG-UHFFFAOYSA-N
XLogP4.96
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-hydroxypropan-2-yl]-5-(6-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 170701261
5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid
CID 170701180
methyl 5-(4-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
CID 170701258
5-methyl-6-phenoxypyridine-3-carboxylic acid
CID 15687066
5-amino-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid
CID 81446828
methyl 5-fluoro-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
CID 146305884
5-chloro-6-(4-methoxyphenoxy)pyridine-3-carboxylic acid
CID 16784776
5-(3-fluorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 170701046
5-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 170701061
5-[4-(trifluoromethyl)phenoxy]pyrimidine-2-carboxylic acid
CID 117231567
N-[(2S,3S)-1,3-dihydroxybutan-2-yl]-5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 170701311
N-[(2R)-1-hydroxypropan-2-yl]-5-(5-methyl-1,3-thiazol-2-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 170701164

Frequently Asked Questions

What is the IUPAC name of 5-(6-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid?
The IUPAC name of 5-(6-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid (CID 170701148) is 5-(6-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(6-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 5-(6-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid is Cc1cccc(-c2cc(C(=O)O)cnc2Oc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 5-(6-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid?
The InChIKey is CQCPPWUVZLVDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O3/c1-11-3-2-4-16(24-11)15-9-12(18(25)26)10-23-17(15)27-14-7-5-13(6-8-14)19(20,21)22/h2-10H,1H3,(H,25,26).
What are the key properties of 5-(6-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid?
5-(6-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid has a molecular weight of 374.32 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 170701148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).